LE: test on >1 cores

testsuite/python/lees_edwards.py

@@ -740,18 +740,16 @@ def test_le_breaking_bonds(self):
     @utx.skipIfMissingFeatures("LENNARD_JONES")
     def run_lj_pair_visibility(self, shear_direction, shear_plane_normal):
         """
-        Simulate an LJ liquid under linear shear and verify forces.
+        Simulate LJ particles coming into contact under linear shear and verify forces.
         This is to make sure that no pairs get lost or are outdated
-        in the short range loop. To have deterministic forces, velocity
-        capping is used rather than a thermostat.
+        in the short range loop. 
         """
         shear_axis, normal_axis = axis(
             shear_direction), axis(shear_plane_normal)
         system = self.system
         system.part.clear()
         system.time = 0
         system.time_step = 0.1
-        system.box_l = 10, 10, 10
         protocol = espressomd.lees_edwards.LinearShear(
             shear_velocity=3, initial_pos_offset=5)
         system.lees_edwards.set_boundary_conditions(
@@ -763,7 +761,8 @@ def run_lj_pair_visibility(self, shear_direction, shear_plane_normal):
             pos=(0.1 * normal_axis, -0.8 * normal_axis),
             v=(1.0 * shear_axis, -0.3 * shear_axis))
         assert np.all(system.part.all().f == 0.)
-        tests_common.check_non_bonded_loop_trace(self, system)
+        tests_common.check_non_bonded_loop_trace(
+            self, system, cutoff=system.non_bonded_inter[0, 0].lennard_jones.get_params()["cutoff"] + system.cell_system.skin)
 
         # Rewind the clock to get back the LE offset applied during force calc
         system.time = system.time - system.time_step
@@ -773,14 +772,16 @@ def run_lj_pair_visibility(self, shear_direction, shear_plane_normal):
             system.integrator.run(3)
             if np.any(np.abs(system.part.all().f) > 0):
                 have_interacted = True
-            tests_common.check_non_bonded_loop_trace(self, system)
+            tests_common.check_non_bonded_loop_trace(
+                self, system, cutoff=system.non_bonded_inter[0, 0].lennard_jones.get_params()["cutoff"] + system.cell_system.skin)
             system.time = system.time - system.time_step
             tests_common.verify_lj_forces(system, 1E-7)
         assert have_interacted
 
     def test_zz_lj_pair_visibility(self):
         # check that regular decomposition without fully connected doesn't catch the particle
         system = self.system
+        system.box_l = 10, 10, 10
         with self.assertRaises(AssertionError):
             system.cell_system.set_regular_decomposition(
                 fully_connected_boundary=None)